SCHEMBL6958676

SCHEMBL6958676

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)O)c4ccc(C)cc43)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.53
AVPR1A P37288 13/20 0.53
OXTR P30559 1/20 0.51
AVPR1B P47901 4/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6964270 0.97 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6963025 0.94 AVPR2 (0.57) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6969840 0.93 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6969981 0.91 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6965369 0.91 AVPR2 (0.54) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6966950 0.89 AVPR2 (0.52) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6969714 0.89 AVPR2 (0.49) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6966589 0.89 AVPR2 (0.55) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961713 0.89 AVPR2 (0.49) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6973411 0.87 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed